6-ethoxy-1,4-dimethylpyrimidin-2-one

C8H12N2O2 — CID 58719920

IUPAC6-ethoxy-1,4-dimethylpyrimidin-2-one
SMILESCCOc1cc(C)nc(=O)n1C
InChIInChI=1S/C8H12N2O2/c1-4-12-7-5-6(2)9-8(11)10(7)3/h5H,4H2,1-3H3
InChIKeyPEQBVTHVHFFDNL-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.49
Rot. Bonds2

About 6-ethoxy-1,4-dimethylpyrimidin-2-one

6-ethoxy-1,4-dimethylpyrimidin-2-one (PubChem CID 58719920) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 6-ethoxy-1,4-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name6-ethoxy-1,4-dimethylpyrimidin-2-one
PubChem CID58719920
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name6-ethoxy-1,4-dimethylpyrimidin-2-one
SMILESCCOc1cc(C)nc(=O)n1C
InChIInChI=1S/C8H12N2O2/c1-4-12-7-5-6(2)9-8(11)10(7)3/h5H,4H2,1-3H3
InChIKeyPEQBVTHVHFFDNL-UHFFFAOYSA-N
XLogP0.49
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-ethoxy-1,4-dimethylpyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1,4-dimethylpyrimidin-2-one?
The IUPAC name of 6-ethoxy-1,4-dimethylpyrimidin-2-one (CID 58719920) is 6-ethoxy-1,4-dimethylpyrimidin-2-one.
What is the SMILES notation for 6-ethoxy-1,4-dimethylpyrimidin-2-one?
The canonical SMILES for 6-ethoxy-1,4-dimethylpyrimidin-2-one is CCOc1cc(C)nc(=O)n1C.
What is the InChIKey of 6-ethoxy-1,4-dimethylpyrimidin-2-one?
The InChIKey is PEQBVTHVHFFDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4-12-7-5-6(2)9-8(11)10(7)3/h5H,4H2,1-3H3.
What are the key properties of 6-ethoxy-1,4-dimethylpyrimidin-2-one?
6-ethoxy-1,4-dimethylpyrimidin-2-one has a molecular weight of 168.20 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1,4-dimethylpyrimidin-2-one is sourced from PubChem (CID 58719920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).